Caprolactam

Caprolactam

SCHEMBL28211534

CC(C)O.O=C1CCCCCN1

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.70
FKBP5 Q13451 1/20 0.70
OR51E2 Q9H255 1/20 0.58
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.48
CTSD P07339 14/20 0.40
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
ADAM17 P78536 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
2-Pyrrolidone SCHEMBL27573765 0.91 OR51E2 (0.71) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL10710154 0.89 CRBN (0.80) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL28301539 0.86 CRBN (0.84) CRBNFKBP5OR51E2KDM4EGAA
Caprolactam SCHEMBL28174316 0.86 CRBN (0.84) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL20885246 0.86 CRBN (0.94) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL20885247 0.86 CRBN (0.94) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL454341 0.86
SCHEMBL20589476 0.86 CRBN (0.94) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL20670735 0.86 CRBN (0.94) CRBNFKBP5OR51E2KDM4EGAA
SCHEMBL10586589 0.86 CRBN (0.94) CRBNFKBP5OR51E2KDM4EGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085565-B A kind of preparation method of hydroxypropyl (fourth) base disiloxane 山东大学 2018-05-08 CN claimed